UCSF

ZINC44624212

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.64 3.07 -68.56 3 5 0 88 202.254 5
Hi High (pH 8-9.5) -1.64 2.88 -50.03 2 5 -1 86 201.246 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )